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Regex Pattern / motif 244 results

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244 results for Pattern / motif query

Cards

Pattern / motif 244 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: thiophene Thiophene

Select ID 2 DB Docking_panel_21

Z56911531

ID 2

C/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C15H14N3O3S2+

MW: 348.43 | LogP: 0.89

TPSA: 91.95

Patterns:

Thiophene

Detail

Select ID 4 DB Docking_panel_21

Z31243438

ID 4

Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3

Formula: C12H12N6S2

MW: 304.40 | LogP: 2.16

TPSA: 69.38

Patterns:

Thiophene

Detail

Select ID 12 DB Docking_panel_21

Z56932065

ID 12

CC(C)/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O3S2+

MW: 376.48 | LogP: 1.67

TPSA: 91.95

Patterns:

Thiophene

Detail

Select ID 19 DB Docking_panel_21

Z56935963

ID 19

COCC/[NH+]=c1\scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O4S2+

MW: 392.48 | LogP: 0.90

TPSA: 101.18

Patterns:

Thiophene

Detail

Select ID 25 DB Docking_panel_21

Z20229393

ID 25

Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C

Formula: C17H14N4OS2

MW: 354.46 | LogP: 4.65

TPSA: 64.70

Patterns:

Thiophene

Detail

Select ID 26 DB Docking_panel_21

Z56784490

ID 26

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1cccs1

Formula: C23H19ClN4O2S

MW: 450.95 | LogP: 4.37

TPSA: 86.35

Patterns:

Thiophene

Detail

Select ID 28 DB Docking_panel_21

KB_chagas_164

ID 28

CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)nc2n1

Formula: C16H15N7S

MW: 337.41 | LogP: 2.44

TPSA: 106.84

Patterns:

Thiophene

Detail

Select ID 37 DB Docking_panel_21

Z56784505

ID 37

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Thiophene

Detail

Select ID 38 DB Docking_panel_21

Z14342059

ID 38

O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Thiophene

Detail

Select ID 53 DB Docking_panel_21

Z49890534

ID 53

Cc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.46

TPSA: 70.40

Patterns:

Thiophene

Detail

Select ID 63 DB Docking_panel_21

Z1020850360

ID 63

CCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21

Formula: C21H23N5OS

MW: 393.52 | LogP: 4.35

TPSA: 85.83

Patterns:

Thiophene

Detail

Select ID 68 DB Docking_panel_21

OHD_ACDS_45

ID 68

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1cccs1

Formula: C23H17Br2N3OS

MW: 543.28 | LogP: 6.80

TPSA: 60.68

Patterns:

Thiophene

Detail

Select ID 89 DB Docking_panel_21

Z56789391

ID 89

O=C1C=C/C(=C(\O)N/N=C/c2sc3ccccc3c2O)C(O)=C1

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Thiophene

Detail

Select ID 106 DB Docking_panel_21

Z29484725

ID 106

Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1

Formula: C22H29N3O6S3

MW: 527.69 | LogP: 1.46

TPSA: 104.30

Patterns:

Thiophene

Detail

Select ID 110 DB Docking_panel_21

Z31238035

ID 110

Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3cccs3)csc2n1

Formula: C17H18N4OS2

MW: 358.49 | LogP: 3.43

TPSA: 72.11

Patterns:

Thiophene

Detail

Select ID 129 DB Docking_panel_21

Z19223273

ID 129

O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccs1

Formula: C21H15N3OS2

MW: 389.51 | LogP: 5.24

TPSA: 55.74

Patterns:

Thiophene

Detail

Select ID 156 DB Docking_panel_21

Z151832316

ID 156

Oc1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2sc(-c3ccccc3)cc12

Formula: C20H19N5O2S3

MW: 457.61 | LogP: 4.80

TPSA: 93.05

Patterns:

Thiophene

Detail

Select ID 160 DB Docking_panel_21

Z56831485

ID 160

Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cc2c(s1)CCCC2

Formula: C22H21ClN2O3S2

MW: 461.01 | LogP: 5.64

TPSA: 75.27

Patterns:

Thiophene

Detail

Select ID 205 DB Docking_panel_21

Z31210867

ID 205

Cc1ccc(-c2csc3nc[nH]/c(=N\S(=O)(=O)c4ccc(Cl)cc4)c23)cc1

Formula: C19H14ClN3O2S2

MW: 415.93 | LogP: 4.54

TPSA: 75.18

Patterns:

Thiophene

Detail

Select ID 241 DB Docking_panel_21

KB_HAT_186

ID 241

O=c1nc(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccsc12

Formula: C16H17Br2N4OS+

MW: 473.21 | LogP: 3.08

TPSA: 74.39

Patterns:

Thiophene

Detail

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